CID 482024

(4-phenyloxazol-2-yl)methyl n-[(1s)-1-[[(1s,2r)-1-benzyl-3-[[(2r,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamoyl]-2,2-dimethyl-propyl]carbamate

Structural Information

Molecular Formula
C42H55N5O8
SMILES
CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)OCC3=NC(=CO3)C4=CC=CC=C4
InChI
InChI=1S/C42H55N5O8/c1-41(2,3)37(47-39(51)54-27-36-44-33(26-53-36)30-20-14-9-15-21-30)38(50)45-31(22-28-16-10-7-11-17-28)34(48)24-43-25-35(49)32(23-29-18-12-8-13-19-29)46-40(52)55-42(4,5)6/h7-21,26,31-32,34-35,37,43,48-49H,22-25,27H2,1-6H3,(H,45,50)(H,46,52)(H,47,51)/t31-,32-,34+,35+,37+/m0/s1
InChIKey
OLSLJXQYZCLHQM-JIZUXLEWSA-N
Compound name
tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-3,3-dimethyl-2-[(4-phenyl-1,3-oxazol-2-yl)methoxycarbonylamino]butanoyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

757.4051 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 758.41238 266.6
[M+Na]+ 780.39432 272.5
[M-H]- 756.39782 270.4
[M+NH4]+ 775.43892 270.9
[M+K]+ 796.36826 265.4
[M+H-H2O]+ 740.40236 244.7
[M+HCOO]- 802.40330 271.7
[M+CH3COO]- 816.41895 292.6
[M+Na-2H]- 778.37977 291.9
[M]+ 757.40455 304.5
[M]- 757.40565 304.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.